| Properties | Image |
|---|
| MNX_ID | MNXM164884 |
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| reference | sabiorkM:27351 |
| formula | C34H49N9O8 |
| global charge | 0 |
| mol weight | 711.821 |
| InChIKey | ILBHHEXPXBRSKB-FWEHEUNISA-N |
| InChI | InChI=1S/C34H49N9O8/c1-20(2)15-26(31(48)42-25(33(50)51)9-6-14-38-34(36)37)43-32(49)27(17-21-7-4-3-5-8-21)41-29(46)19-39-28(45)18-40-30(47)24(35)16-22-10-12-23(44)13-11-22/h3-5,7-8,10-13,20,24-27,44H,6,9,14-19,35H2,1-2H3,(H,39,45)(H,40,47)(H,41,46)(H,42,48)(H,43,49)(H,50,51)(H4,36,37,38)/t24-,25-,26-,27-/m0/s1 |
| SMILES | CC(C)C[C@H](N=C(O)[C@H](CC1=CC=CC=C1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)CC1=CC=C(O)C=C1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C34H49N9O8/c1-20(2)15-26(31(48)42-25(33(50)51)9-6-14-38-34(36)37)43-32(49)27(17-21-7-4-3-5-8-21)41-29(46)19-39-28(45)18-40-30(47)24(35)16-22-10-12-23(44)13-11-22/h3-5,7-8,10-13,20,24-27,44H,6,9,14-19,35H2,1-2H3,(H,39,45)(H,40,47)(H,41,46)(H,42,48)(H,43,49)(H,50,51)(H4,36,37,38)/t24-,25-,26-,27-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:20]([CH3:2])[CH2:15][C@@H:26]([C:31](=[N:42][C@@H:25]([CH2:9][CH2:6][CH2:14][NH:38][C:34](=[NH:36])[NH2:37])[C:33](=[O:50])[OH:51])[OH:48])[N:43]=[C:32]([C@H:27]([CH2:17][C:21]1=[CH:7][CH:4]=[CH:3][CH:5]=[CH:8]1)[N:41]=[C:29]([CH2:19][N:39]=[C:28]([CH2:18][N:40]=[C:30]([C@H:24]([CH2:16][C:22]1=[CH:11][CH:13]=[C:23]([OH:44])[CH:12]=[CH:10]1)[NH2:35])[OH:47])[OH:45])[OH:46])[OH:49] |
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